1-(3-cyanophenyl)carbonyl-N-(phenylmethyl)-4-[2-(phenylsulfonyl)ethyl]piperazine-2-carboxamide

Systemtic Name: 1-(3-cyanophenyl)carbonyl-N-(phenylmethyl)-4-[2-(phenylsulfonyl)ethyl]piperazine-2-carboxamide Openeye Name: 4-[2-(benzenesulfonyl)ethyl]-N-benzyl-1-(3-cyanobenzoyl)piperazine-2-carboxamide CAS Name: 4-[2-(benzenesulfonyl)ethyl]-1-[(3-cyanophenyl)-oxomethyl]-N-(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: 4-[2-(benzenesulfonyl)ethyl]-N-benzyl-1-(3-cyanobenzoyl)piperazine-2-carboxamide Traditional Name: N-benzyl-4-(2-besylethyl)-1-(3-cyanobenzoyl)piperazine-2-carboxamide Formula: C28H28N4O4S MolecularWeight: 516.61132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CCS(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(C(CN1CCS(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H28N4O4S/c29-19-23-10-7-11-24(18-23)28(34)32-15-14-31(16-17-37(35,36)25-12-5-2-6-13-25)21-26(32)27(33)30-20-22-8-3-1-4-9-22/h1-13,18,26H,14-17,20-21H2,(H,30,33)